About (NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine
(NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine (PubChem CID 11796022) has the molecular formula C21H43NO3Si2
and a molecular weight of 413.75 g/mol. Its IUPAC name is (NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine.
Molecular Properties
| Compound Name | (NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine |
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| PubChem CID | 11796022 |
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| Molecular Formula | C21H43NO3Si2 |
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| Molecular Weight | 413.75 g/mol |
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| Exact Mass | 413.28 |
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| IUPAC Name | (NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine |
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| SMILES | C=CCC(CC=C)(O[Si](C)(C)C(C)(C)C)[C@@H](/C=N/O)O[Si](C)(C)C(C)(C)C |
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| InChI | InChI=1S/C21H43NO3Si2/c1-13-15-21(16-14-2,25-27(11,12)20(6,7)8)18(17-22-23)24-26(9,10)19(3,4)5/h13-14,17-18,23H,1-2,15-16H2,3-12H3/b22-17+/t18-/m1/s1 |
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| InChIKey | PESRCOFYTIAHQR-YMNYDYPGSA-N |
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| XLogP | 6.75 |
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| TPSA | 51.05 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 4 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 27 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 413.75 |
| LogP ≤ 5 | 6.75 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 4 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine?
The IUPAC name of (NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine (CID 11796022) is (NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine is C=CCC(CC=C)(O[Si](C)(C)C(C)(C)C)[C@@H](/C=N/O)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of (NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine?
The InChIKey is PESRCOFYTIAHQR-YMNYDYPGSA-N. The full InChI is InChI=1S/C21H43NO3Si2/c1-13-15-21(16-14-2,25-27(11,12)20(6,7)8)18(17-22-23)24-26(9,10)19(3,4)5/h13-14,17-18,23H,1-2,15-16H2,3-12H3/b22-17+/t18-/m1/s1.
What are the key properties of (NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine?
(NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine has a molecular weight of 413.75 g/mol, XLogP of 6.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2R)-2,3-bis[[tert-butyl(dimethyl)silyl]oxy]-3-prop-2-enylhex-5-enylidene]hydroxylamine is sourced from PubChem (CID 11796022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).